SpectraBase Spectrum ID |
GBzVLhCvNaF |
Name |
1-Isobutyladamantane |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
192.187800773 u |
Formula |
C14H24 |
InChI |
InChI=1S/C14H24/c1-10(2)6-14-7-11-3-12(8-14)5-13(4-11)9-14/h10-13H,3-9H2,1-2H3/t11-,12+,13-,14+ |
InChIKey |
OSMGLMXJELDBEL-KPWCQOOUSA-N |
Molecular Weight |
192.346 g/mol |
SMILES |
C1[C@]2(C[C@]3(C[C@@]1(CC(C2)(CC(C)C)C3)[H])[H])[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956835 |